Vitas-M small molecule compound
1-[(4-bromobenzyl)sulfanyl]-4-(4-methoxyphenyl)-7,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK720467
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(C)(C)OCc1s2)SCc1ccc(cc1)Br
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H23BrN4O3S2 MW 583.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN4O3S2/c1-26(2)12-19-20(13-34-26)36-23-21(19)22(32)30(17-8-10-18(33-3)11-9-17)24-28-29-25(31(23)24)35-14-15-4-6-16(27)7-5-15/h4-11H,12-14H2,1-3H3InChIKey
MITHUMYWLCKOSD-UHFFFAOYSA-NSynonyms
1((4bromobenzyl)sulfanyl)4(4methoxyphenyl)77dimethyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((4bromobenzyl)thio)4(4methoxyphenyl)77dimethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=C(C=C5)Br)C6=CC=C(C=C6)OC)C
InChI=1SC26H23BrN4O3S2c126(2)121920(133426)362321(19)22(32)30(1781018(333)11917)24282925(31(23)24)3514154616(27)7515h411H1214H213H3
MFCD03687376
ZINC000001871647
ZINC01871647
ZINC1871647
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